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Chemical ID: 5981725

c1ccc(c(c1)c2cc(n(n2)c3ccc(cc3)F)C(=O)N(CCC#N)Cc4cccnc4)F

Chemical ID:

5981725

Name [?]:

N-(2-cyanoethyl)-5-(2-fluorophenyl)-2-(4-fluorophenyl)-N-(3-pyridylmethyl)pyrazole-3-carboxamide

SMILES [?]:

c1ccc(c(c1)c2cc(n(n2)c3ccc(cc3)F)C(=O)N(CCC#N)Cc4cccnc4)F

InChi [?]:

InChI=1/C25H19F2N5O/c26-19-8-10-20(11-9-19)32-24(15-23(30-32)21-6-1-2-7-22(21)27)25(33)31(14-4-12-28)17-18-5-3-13-29-16-18/h1-3,5-11,13,15-16H,4,14,17H2

InChi Info:

AuxInfo=1/0/N:1,2,29,23,28,6,3,14,16,13,17,24,30,22,8,32,26,27,15,12,5,4,7,9,19,18,33,25,31,11,21,10,20/E:(8,9)(10,11)/rA:33nCCCCCCCCCNNCCCCCCFCONCCCNCCCCCNCF/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d7s10;s10;s12;d13;s14;d15;d12s16;s15;s9;d19;s19;s21;s22;s23;t24;s21;s26;s27;d28;s29;d30;d27s31;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₁₉F₂N₅O
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	9.48435
Area:	632.434
Solvation:	-6.32649
Coulombic:	-36.5297

Bond Count [?]

All:	36
Single:	23
Double:	12
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	443.448
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	4.01
LogP (Chemaxon):	3.8

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value